SCHEMBL25810314

SCHEMBL25810314

CC1(C)c2ccccc2Sc2cc(Nc3cccc4c3oc3ccccc34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
DUSP3 P51452 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HTT P42858 2/20 0.31
ALOX5 P09917 2/20 0.31
RCE1 Q9Y256 1/20 0.31
EGFR P00533 1/20 0.31
MAOB P27338 1/20 0.31
ADORA2A P29274 1/20 0.31
PGR P06401 1/20 0.31
VKORC1 Q9BQB6 1/20 0.31
MAPT P10636 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25810283 0.86 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL25810346 0.85 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL18729420 0.83 ALOX5 (0.38) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL25810301 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL29374585 0.81 ALOX5 (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL16185367 0.81 ALOX5 (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL29386551 0.81 ALOX5 (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL25810324 0.78 MEN1 (0.35) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL24228982 0.77 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL22934102 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200205-A1 Emitting Compound and Organic Light Emitting Device Including the Same LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-20230200205-A1 Emitting Compound and Organic Light Emitting Device Including the Same LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed